Affiliation:
1. Henan University of Technology
Abstract
Using first-principles density-functional theory investigate (5, 5) capped single-walled carbon nanotubes adsorbed at one end by hydrogen molecule with and without an applied electric field. It is found that the structure of carbon nanotubes with hydrogen molecules is stable under field-emission conditions. The induced dipole moments is the direction of the applied electric field，and the LUMO-HOMO energy gaps decrease. These results elucidate that the field-emission properties of carbon nanotubes can be enhanced by the adsorption of hydrogen molecules, and are consistent with the experimental results.
Publisher
Trans Tech Publications, Ltd.
Reference11 articles.
1. Iijima S. Nature, 354 (1991): 56.
2. Kim H J, Han J H, Yang W S, et al. Materials Science and Engineering C, 16(2001): 27.
3. F. L. Coffman, R. Cao, P. A. Pianetta, et al. Appl. Phys. Lett, , 69(1996), 4: 568.
4. FAN Zhi-Qin, ZHANG Bing-Lin, YAO Ning, et al. Chin. Phys. Lett., 20(2003) , 11: (1991).
5. FAN Zhi-Qin, ZHANG Bing-Lin, YAO Ning, et al. Ban Dao Ti Xue Bao, 25(2004), 11: 1349.